⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1827417 | 1.00 | — | — | |
| SCHEMBL4181993 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15771979 | 0.97 | — | — | |
| SCHEMBL1796494 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL15772347 | 0.93 | — | — | |
| SCHEMBL255849 | 0.89 | — | — | |
| SCHEMBL23055768 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL15751176 | 0.86 | — | — | |
| SCHEMBL17318922 | 0.84 | — | — | |
| SCHEMBL16877411 | 0.83 | SOS1 (0.37) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160326157-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-11-10 | — | — | US | disclosed |
| US-20160159774-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE CAR LLC (BM) | 2016-06-09 | — | — | US | disclosed |
| WO-2016090079-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-06-09 | — | — | WO | disclosed |
| WO-2015103583-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-07-09 | — | — | WO | disclosed |